5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid

C14H15NO5 — CID 117443904

IUPAC5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1C
InChIInChI=1S/C14H15NO5/c1-4-19-11-6-9(12(18-3)5-8(11)2)13-7-10(14(16)17)15-20-13/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyLTSUSXPWPASPKX-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.76
Rot. Bonds5

About 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117443904) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117443904
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1C
InChIInChI=1S/C14H15NO5/c1-4-19-11-6-9(12(18-3)5-8(11)2)13-7-10(14(16)17)15-20-13/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyLTSUSXPWPASPKX-UHFFFAOYSA-N
XLogP2.76
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-ethoxy-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117473181
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117475829
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
5-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 117488319

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117443904) is 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is CCOc1cc(-c2cc(C(=O)O)no2)c(OC)cc1C.
What is the InChIKey of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LTSUSXPWPASPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-19-11-6-9(12(18-3)5-8(11)2)13-7-10(14(16)17)15-20-13/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117443904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).